3-methylbut-2-en-2-ylcyclopropane

C8H14 — CID 14226819

IUPAC3-methylbut-2-en-2-ylcyclopropane
SMILESCC(C)=C(C)C1CC1
InChIInChI=1S/C8H14/c1-6(2)7(3)8-4-5-8/h8H,4-5H2,1-3H3
InChIKeyQRJJXVGCFAXLMG-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds1

About 3-methylbut-2-en-2-ylcyclopropane

3-methylbut-2-en-2-ylcyclopropane (PubChem CID 14226819) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 3-methylbut-2-en-2-ylcyclopropane.

Molecular Properties

Compound Name3-methylbut-2-en-2-ylcyclopropane
PubChem CID14226819
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name3-methylbut-2-en-2-ylcyclopropane
SMILESCC(C)=C(C)C1CC1
InChIInChI=1S/C8H14/c1-6(2)7(3)8-4-5-8/h8H,4-5H2,1-3H3
InChIKeyQRJJXVGCFAXLMG-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3,5-Trimethyl-2-hexene
CID 14713429
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CID 5355072
2,3,4-Trimethylhex-2-ene
CID 17861707
4-Ethyl-2,3-dimethylhex-2-ene
CID 549716
Cyclopropane, (1-methylpropenyl)-
CID 5463338
1-Cyclopropylethylidenecyclopropane
CID 12718944
2-Cyclopropyl-2-penten
CID 144712
Hexan-2-ylidenecyclopropane
CID 23205847
2,4,5,7-Tetramethyloct-4-ene
CID 59877989
Cyclopropane, 1,2-dimethyl-3-(2-methyl-1-propenylidene)-, cis-
CID 142207
3-Fluorobut-2-en-2-ylcyclopropane
CID 174076200

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-en-2-ylcyclopropane?
The IUPAC name of 3-methylbut-2-en-2-ylcyclopropane (CID 14226819) is 3-methylbut-2-en-2-ylcyclopropane.
What is the SMILES notation for 3-methylbut-2-en-2-ylcyclopropane?
The canonical SMILES for 3-methylbut-2-en-2-ylcyclopropane is CC(C)=C(C)C1CC1.
What is the InChIKey of 3-methylbut-2-en-2-ylcyclopropane?
The InChIKey is QRJJXVGCFAXLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-6(2)7(3)8-4-5-8/h8H,4-5H2,1-3H3.
What are the key properties of 3-methylbut-2-en-2-ylcyclopropane?
3-methylbut-2-en-2-ylcyclopropane has a molecular weight of 110.20 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-en-2-ylcyclopropane is sourced from PubChem (CID 14226819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).